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Related Experiment Video

Updated: Sep 12, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

A multiscale perspective on cluster-based layered materials: Design and function optimization toward catalytic and

Binbin Qian¹, Ke Xu¹, Dantong Zhang¹

¹Multiscale Crystal Materials Research Center, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China.

Fundamental Research

|August 8, 2025

Summary

Cluster-based layered materials integrate dynamic clusters into layered structures, offering unique properties for catalysis and energy storage. This review explores their design, characterization, and applications.

Keywords:

Catalysis Clusters Energy storage Layered materials Multiscale

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Published on: December 6, 2021

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Last Updated: Sep 12, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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Published on: April 12, 2019

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Published on: December 6, 2021

Area of Science:

Chemistry and Materials Science
Nanotechnology
Supramolecular Chemistry

Background:

Layered materials possess unique structural characteristics and tunable properties.
Incorporating mesoscale dynamic clusters into layered materials creates novel cluster-based layered materials.
These materials exhibit enhanced or emergent properties beyond individual components.

Purpose of the Study:

To review the design and assembly strategies of cluster-based layered materials from a multiscale perspective.
To introduce multiscale characterization and simulation platforms for these materials.
To discuss recent advancements in catalytic and energy storage applications.

Main Methods:

Multiscale design and assembly strategies.
Multiscale characterization and simulation techniques.
Review of existing literature on applications.

Main Results:

Cluster-based layered materials offer tunable properties through multiscale integration.
Demonstrated success in catalytic and energy storage applications.
Identified key challenges and future research directions.

Conclusions:

Cluster-based layered materials represent a promising frontier in materials science.
Further development of multiscale approaches is crucial for optimizing their performance.
Continued research will unlock new applications in catalysis and energy storage.